Sugi Predict

Sugi Predict / Compounds / SCHEMBL17609062

SCHEMBL17609062

SCHEMBL17609062

C=CCC1(C(=O)OC)CN(C(=O)OCc2ccccc2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TMEM97 Q5BJF2 5/20 0.42
▸ SIGMAR1 Q99720 5/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ ELANE P08246 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ F13A1 P00488 2/20 0.40
▸ TGM2 P21980 2/20 0.40
▸ TGM1 P22735 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30360515 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL20411049 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL20410742 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL30360502 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL30794010 0.78 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL1274210 0.78 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3183005 0.77 MEN1 (0.52) NPC1RAB9ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL2670172 0.76 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL20411048 0.76 GRM5 (0.43) NPC1RAB9ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL30360503 0.76 GRM5 (0.43) NPC1RAB9ASMN1; SMN2TMEM97SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 — — US disclosed
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 — — US disclosed
US-20170260185-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) CHRONOS THERAPEUTICS LIMITED (GB) 2017-09-14 — — US disclosed
US-20170260185-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) CHRONOS THERAPEUTICS LIMITED (GB) 2017-09-14 — — US disclosed
US-20170260185-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) CHRONOS THERAPEUTICS LIMITED (GB) 2017-09-14 — — US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 — — US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 — — US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 — — US disclosed
EP-3201195-A1 SPIROCYCLIC DERIVATIVES Chronos Therapeutics Limited (GB) 2017-08-09 — — EP disclosed
EP-3194397-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) Chronos Therapeutics Limited (GB) 2017-07-26 — — EP disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 — — WO disclosed
WO-2016042451-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 — — WO disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 — — WO disclosed
WO-2016042451-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170260185-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) SLC6A3, SLC6A4, SLC6A2 NPC1 383/4885RAB9A 647/4885SMN1; SMN2 1644/4885
US-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 NPC1 31/4885RAB9A 171/4885SMN1; SMN2 3011/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.